1-hexyl-4-methyl-1H-imidazol-1-ium

C10H19N2+ — CID 154168928

IUPAC1-hexyl-4-methyl-1H-imidazol-1-ium
SMILESCCCCCC[NH+]1C=NC(C)=C1
InChIInChI=1S/C10H18N2/c1-3-4-5-6-7-12-8-10(2)11-9-12/h8-9H,3-7H2,1-2H3/p+1
InChIKeyDWSNUAKZAUKNPG-UHFFFAOYSA-O
MW167.28 g/mol
LogP1.35
Rot. Bonds5

About 1-hexyl-4-methyl-1H-imidazol-1-ium

1-hexyl-4-methyl-1H-imidazol-1-ium (PubChem CID 154168928) has the molecular formula C10H19N2+ and a molecular weight of 167.28 g/mol. Its IUPAC name is 1-hexyl-4-methyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-hexyl-4-methyl-1H-imidazol-1-ium
PubChem CID154168928
Molecular FormulaC10H19N2+
Molecular Weight167.28 g/mol
Exact Mass167.15
IUPAC Name1-hexyl-4-methyl-1H-imidazol-1-ium
SMILESCCCCCC[NH+]1C=NC(C)=C1
InChIInChI=1S/C10H18N2/c1-3-4-5-6-7-12-8-10(2)11-9-12/h8-9H,3-7H2,1-2H3/p+1
InChIKeyDWSNUAKZAUKNPG-UHFFFAOYSA-O
XLogP1.35
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-decyl-1H-imidazol-1-ium
CID 17841393
1-hexadecyl-4-methyl-1H-imidazol-1-ium chloride
CID 19880251
1-pentyl-1H-imidazol-1-ium
CID 22342452
1-heptyl-1H-imidazol-1-ium iodide
CID 22476655
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide
CID 66987741
1-hexadecyl-4-methyl-1H-imidazol-1-ium iodide
CID 68109657
1-hexadecyl-4-methyl-1H-imidazol-1-ium bromide
CID 68109914
1-heptyl-1H-imidazol-1-ium chloride
CID 68469934
1-hexyl-1H-imidazol-1-ium chloride
CID 69016390
1-hexyl-1H-imidazol-1-ium iodide
CID 117952792
1-butyl-4-dodecyl-1H-imidazol-1-ium bromide
CID 118093701

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-methyl-1H-imidazol-1-ium?
The IUPAC name of 1-hexyl-4-methyl-1H-imidazol-1-ium (CID 154168928) is 1-hexyl-4-methyl-1H-imidazol-1-ium.
What is the SMILES notation for 1-hexyl-4-methyl-1H-imidazol-1-ium?
The canonical SMILES for 1-hexyl-4-methyl-1H-imidazol-1-ium is CCCCCC[NH+]1C=NC(C)=C1.
What is the InChIKey of 1-hexyl-4-methyl-1H-imidazol-1-ium?
The InChIKey is DWSNUAKZAUKNPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2/c1-3-4-5-6-7-12-8-10(2)11-9-12/h8-9H,3-7H2,1-2H3/p+1.
What are the key properties of 1-hexyl-4-methyl-1H-imidazol-1-ium?
1-hexyl-4-methyl-1H-imidazol-1-ium has a molecular weight of 167.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-methyl-1H-imidazol-1-ium is sourced from PubChem (CID 154168928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).